- InChI
- InChI=1S/C9H4F6O2/c10-8(11,12)4-2-1-3-5(9(13,14)15)6(4)7(16)17/h1-3H,(H,16,17)
- InChI Key
- XZNLSDPNMNWCRE-UHFFFAOYSA-N
- Formula
- C9H4F6O2
- SMILES
-
O=C(O)c1c(C(F)(F)F)cccc1C(F)(F
)F - Molecular Weight1
- 258.12
- CAS
- 24821-22-5
- Other Names
-
- 2,6-di(Trifluoromethyl)benzoic acid
- Benzoic acid, 2,6-bis(trifluoromethyl)-
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | -1310.87 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1474.47 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 21.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.16 | kJ/mol | Joback Calculated Property |
| log10WS | -3.74 | Crippen Calculated Property | |
| logPoct/wat | 3.422 | Crippen Calculated Property | |
| McVol | 131.970 | ml/mol | McGowan Calculated Property |
| Pc | 2896.73 | kPa | Joback Calculated Property |
| Tboil | 577.17 | K | Joback Calculated Property |
| Tc | 752.38 | K | Joback Calculated Property |
| Tfus | 361.78 | K | Joback Calculated Property |
| Vc | 0.542 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [336.63; 378.09] | J/mol×K | [577.17; 752.38] | 
|
| Cp,gas | 336.63 | J/mol×K | 577.17 | Joback Calculated Property |
| Cp,gas | 344.96 | J/mol×K | 606.37 | Joback Calculated Property |
| Cp,gas | 352.67 | J/mol×K | 635.57 | Joback Calculated Property |
| Cp,gas | 359.80 | J/mol×K | 664.78 | Joback Calculated Property |
| Cp,gas | 366.39 | J/mol×K | 693.98 | Joback Calculated Property |
| Cp,gas | 372.47 | J/mol×K | 723.18 | Joback Calculated Property |
| Cp,gas | 378.09 | J/mol×K | 752.38 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,6-Bis(trifluoromethyl)benzoic acid.
Sources
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